[(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate

C14H32O6SSi2 — CID 102500565

IUPAC[(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate
SMILESCCO[Si](OCC)(OCC)/C(=C/[Si](C)(C)C)CCOS(C)(=O)=O
InChIInChI=1S/C14H32O6SSi2/c1-8-18-23(19-9-2,20-10-3)14(13-22(5,6)7)11-12-17-21(4,15)16/h13H,8-12H2,1-7H3/b14-13+
InChIKeyANUVIFACFGMGDZ-BUHFOSPRSA-N
MW384.64 g/mol
LogP2.74
Rot. Bonds12

About [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate

[(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate (PubChem CID 102500565) has the molecular formula C14H32O6SSi2 and a molecular weight of 384.64 g/mol. Its IUPAC name is [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate.

Molecular Properties

Compound Name[(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate
PubChem CID102500565
Molecular FormulaC14H32O6SSi2
Molecular Weight384.64 g/mol
Exact Mass384.15
IUPAC Name[(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate
SMILESCCO[Si](OCC)(OCC)/C(=C/[Si](C)(C)C)CCOS(C)(=O)=O
InChIInChI=1S/C14H32O6SSi2/c1-8-18-23(19-9-2,20-10-3)14(13-22(5,6)7)11-12-17-21(4,15)16/h13H,8-12H2,1-7H3/b14-13+
InChIKeyANUVIFACFGMGDZ-BUHFOSPRSA-N
XLogP2.74
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.64
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

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Related Compounds

methane;pentyl methanesulfonate
CID 158804088
chromium;4-methylsulfonyloxybutyl methanesulfonate
CID 174784786
ethyl 10-methylsulfonyloxydecanoate
CID 118671452
ethanamine;propyl methanesulfonate
CID 91463182
dec-4-enyl methanesulfonate
CID 123139134
3-trihydroxysilylpropyl methanesulfonate
CID 164997889
8-ethoxyoctyl methanesulfonate
CID 139711328
2-[didodecyl(2-methylsulfonyloxyethyl)silyl]ethyl methanesulfonate
CID 162475704
icos-11-enyl methanesulfonate
CID 123465441
[(Z)-icos-11-enyl] methanesulfonate
CID 86699632
(3-ethyl-3-hydroxypentyl) methanesulfonate
CID 22272963
ethyl methanesulfonate;hydrofluoride
CID 174826290

Frequently Asked Questions

What is the IUPAC name of [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate?
The IUPAC name of [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate (CID 102500565) is [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate.
What is the SMILES notation for [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate?
The canonical SMILES for [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate is CCO[Si](OCC)(OCC)/C(=C/[Si](C)(C)C)CCOS(C)(=O)=O.
What is the InChIKey of [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate?
The InChIKey is ANUVIFACFGMGDZ-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H32O6SSi2/c1-8-18-23(19-9-2,20-10-3)14(13-22(5,6)7)11-12-17-21(4,15)16/h13H,8-12H2,1-7H3/b14-13+.
What are the key properties of [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate?
[(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate has a molecular weight of 384.64 g/mol, XLogP of 2.74, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-triethoxysilyl-4-trimethylsilylbut-3-enyl] methanesulfonate is sourced from PubChem (CID 102500565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).